SCHEMBL8445916

SCHEMBL8445916

CC(NCCCn1ccnc1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8444444 0.99 QPCT (0.53) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8443995 0.96 TP53 (0.52) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8444572 0.95 ALDH1A1 (0.51) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8444374 0.87 ALOX15 (0.55) QPCTLMNAPOLBSMN1; SMN2
SCHEMBL8443891 0.87 HMOX1 (0.53) QPCTLMNAPOLBALDH1A1TP53
SCHEMBL8444551 0.87 CYP19A1 (0.57) QPCTLMNAPOLBALDH1A1TP53
SCHEMBL8445855 0.86 QPCT (0.57) QPCTLMNAPOLB
SCHEMBL8444476 0.85 KMT2A (0.56) QPCTLMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL8444353 0.85 POLB (0.56) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8446163 0.85 QPCT (0.52) QPCTCYP1A2CYP3A4CYP2D6CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP claimed
CN-1037511-C Therapeutic agents BOOTS CO PLC (GB) 1998-02-25 CN claimed
JP-2633087-B2 1997-07-23 JP claimed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US claimed
WO-1995022327-A1 USE OF 1-(ARYLALKYLAMINOALKYL) IMIDAZOLES FOR TREATING NEUROLOGICAL DAMAGE KNOLL AG (DE) 1995-08-24 WO claimed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO claimed
EP-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP disclosed
CN-1037511-C Therapeutic agents BOOTS CO PLC (GB) 1998-02-25 CN disclosed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
WO-1995022327-A1 USE OF 1-(ARYLALKYLAMINOALKYL) IMIDAZOLES FOR TREATING NEUROLOGICAL DAMAGE KNOLL AG (DE) 1995-08-24 WO disclosed
CN-1096781-A The therapeutical agent that contains 1-(aralkyl-aminoalkyl) imidazolium compounds BOOTS CO PLC (GB) 1994-12-28 CN disclosed
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed